| Pubchem Sid | 504765123 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504765123 |
| Canonical Smiles | CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)C=CC=C(C)C(=O)OC3C(C(C(C(O3)CO)O)O)O |
| IUPAC Name | 1-O-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 16-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate |
| InChIKey | CZSBHMFVVLYIQQ-DRVLGOCHSA-N |
| INCHI | 1S/C38H54O19/c1-18(11-7-13-20(3)34(50)56-37-32(48)29(45)26(42)23(16-40)54-37)9-5-6-10-19(2)12-8-14-21(4)35(51)57-38-33(49)30(46)27(43)24(55-38)17-52-36-31(47)28(44)25(41)22(15-39)53-36/h5-14,22-33,36-49H,15-17H2,1-4H3/b6-5+,11-7+,12-8+,18-9+,19-10+,20-13+,21-14+/t22-,23-,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,36-,37+,38+/m1/s1 |
| Isomeric SMILES | C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)/C=C/C=C(\C)/C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
| PubChem CID | 9940690 |
| Molecular Weight | 814.82 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Diterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diterpenoids |
| Alternative Parents | O-glycosyl compounds Disaccharides Fatty acid esters Oxanes Dicarboxylic acids and derivatives Enoate esters Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Diterpenoid - Disaccharide - Glycosyl compound - O-glycosyl compound - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Oxane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Primary alcohol - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. |
| External Descriptors | diester - beta-D-glucoside |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2406052 | Certificate of Analysis | Feb 04, 2026 | C115841 |
| A2615019 | Certificate of Analysis | Jan 17, 2026 | C115841 |
| F2222278 | Certificate of Analysis | Dec 10, 2025 | C115841 |
| F2222285 | Certificate of Analysis | Dec 10, 2025 | C115841 |
| F2222289 | Certificate of Analysis | Dec 10, 2025 | C115841 |
| F2222295 | Certificate of Analysis | Dec 10, 2025 | C115841 |
| F2222296 | Certificate of Analysis | Dec 10, 2025 | C115841 |
| Sensitivity | light sensitive |
|---|---|
| Molecular Weight | 814.800 g/mol |
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 11 |
| Hydrogen Bond Acceptor Count | 19 |
| Rotatable Bond Count | 17 |
| Exact Mass | 814.326 Da |
| Monoisotopic Mass | 814.326 Da |
| Topological Polar Surface Area | 312.000 Ų |
| Heavy Atom Count | 57 |
| Formal Charge | 0 |
| Complexity | 1550.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 15 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 7 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 7 |
| Covalently-Bonded Unit Count | 1 |
